SCHEMBL871807

SCHEMBL871807

O=CCNC(=O)c1ccc(C2=NOC(c3ccc(F)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.32
HPGD P15428 3/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
CXCR5 P32302 1/20 0.31
ORAI1 Q96D31 1/20 0.31
P2RX7 Q99572 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ELOVL6 Q9H5J4 1/20 0.30
FSCN1 Q16658 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL871534 0.92 HPGD (0.31) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL870231 0.91 HPGD (0.32) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL871473 0.90 P2RX7 (0.32) CXCR5P2RX7CA1CA2
SCHEMBL10072349 0.90 CA1 (0.32) CXCR5CA1CA2HDAC3HDAC1
SCHEMBL883221 0.90 HPGD (0.31) HPGDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL869975 0.89 ALOX5AP (0.35) CHRM1CXCR5ORAI1
SCHEMBL870096 0.89
SCHEMBL10072343 0.89 CHRM1 (0.32) CHRM1ITGB1ITGA4ORAI1
SCHEMBL869684 0.87 PPARG (0.32) ITGB1ITGA4P2RX7
SCHEMBL869923 0.86 P2RX1 (0.36) POLBP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 CHRM1 59/4885HPGD 1699/4885CYP1A2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.